SCHEMBL8954946

SCHEMBL8954946

CC1CCN(C(=O)[C@@](N)(Cc2cccc(N)c2)S(=O)(=O)c2ccc3ccccc3c2)C(C(=O)O)C1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 2/20 0.45
▸ F2 P00734 8/20 0.42
▸ LMNA P02545 1/20 0.39
▸ MCOLN3 Q8TDD5 1/20 0.39
▸ PRSS1 P07477 1/20 0.38
▸ CAPN1 P07384 1/20 0.37
▸ PLAU P00749 1/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C1 Q04828 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9710875 0.94 F10 (0.46) F10F2LMNAMCOLN3PRSS1
SCHEMBL8955038 0.88 F10 (0.47) F10F2PRSS1PLAU
SCHEMBL8954656 0.83 AKR1C3 (0.39) F10F2PRSS1CAPN1PLAU
SCHEMBL8954816 0.81 F10 (0.39) F10F2CAPN1AKR1C3AKR1C1
SCHEMBL8954942 0.80 F10 (0.69) F10F2PLAU
SCHEMBL8954706 0.78 F10 (0.52) F10F2PLAU
SCHEMBL8955009 0.78 HTT (0.52) F10F2MCOLN3PRSS1PLAU
SCHEMBL9710120 0.78 F10 (0.38) F10F2PRSS1CAPN1AKR1C3
SCHEMBL8954993 0.77 CASR (0.41) F10F2PRSS1CAPN1
Hydrochloric Acid SCHEMBL8954922 0.76 F10 (0.51) F10F2PRSS1PLAU

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5518735-A ANTICOAGULANTS ADMINISTERED BY MOUTH PENTAPHARM AG (CH) 1996-05-21 — — US disclosed
EP-0511347-A1 META-SUBSTITUTED PHENYL ALANINE DERIVATIVES Pentapharm A.G. (CH) 1992-11-04 — — EP disclosed
WO-1992008709-A1 META-SUBSTITUTED PHENYL ALANINE DERIVATIVES PENTAPHARM AG (CH) 1992-05-29 — — WO disclosed
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